9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane

C18H24F2N2O4S — CID 169161302

IUPAC9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCOC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C18H24F2N2O4S/c19-14-9-15(20)11-17(10-14)27(23,24)22-5-8-26-18(13-22)3-4-21(12-18)16-1-6-25-7-2-16/h9-11,16H,1-8,12-13H2
InChIKeyXGEZCEYJBTWWPV-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.61
Rot. Bonds3

About 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane

9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane (PubChem CID 169161302) has the molecular formula C18H24F2N2O4S and a molecular weight of 402.46 g/mol. Its IUPAC name is 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane
PubChem CID169161302
Molecular FormulaC18H24F2N2O4S
Molecular Weight402.46 g/mol
Exact Mass402.14
IUPAC Name9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCOC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C18H24F2N2O4S/c19-14-9-15(20)11-17(10-14)27(23,24)22-5-8-26-18(13-22)3-4-21(12-18)16-1-6-25-7-2-16/h9-11,16H,1-8,12-13H2
InChIKeyXGEZCEYJBTWWPV-UHFFFAOYSA-N
XLogP1.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118744794
8-((2,5-Difluorophenyl)sulfonyl)-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803321
4-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390375
9-(4-Fluorobenzenesulfonyl)-4-(morpholin-4-YL)-1-oxa-9-azaspiro[5.5]undecane
CID 91919068
4-[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
CID 2911607
4-[1-(3-Fluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390372
4-[1-(2,5-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390374
1-(4-Fluorobenzenesulfonyl)-3-(morpholin-4-ylmethyl)pyrrolidin-3-OL
CID 110097916
1-(2-Fluorobenzenesulfonyl)-3-(morpholin-4-ylmethyl)pyrrolidin-3-OL
CID 110097935
1-(3-Fluorobenzenesulfonyl)-3-(morpholin-4-ylmethyl)pyrrolidin-3-OL
CID 110108886
8-(3,5-Difluorobenzenesulfonyl)-2-[(4-methylpiperazin-1-YL)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124038653
1-(Benzenesulfonyl)-4-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-YL]piperidine
CID 124040345

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane (CID 169161302) is 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane is O=S(=O)(c1cc(F)cc(F)c1)N1CCOC2(CCN(C3CCOCC3)C2)C1.
What is the InChIKey of 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane?
The InChIKey is XGEZCEYJBTWWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O4S/c19-14-9-15(20)11-17(10-14)27(23,24)22-5-8-26-18(13-22)3-4-21(12-18)16-1-6-25-7-2-16/h9-11,16H,1-8,12-13H2.
What are the key properties of 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane?
9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane has a molecular weight of 402.46 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-difluorophenyl)sulfonyl-2-(oxan-4-yl)-6-oxa-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 169161302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).